Geometry & MOs

Info

ID:	185647
PubChem CID:	77324785
Reduced:	ClNO6C23H28 (1)
Stoich.:	ABC6D23E28 (1)
Weight, g/mol:	322.013218
ΔH_f, kcal/mol:	-221.83
Dipole, Da:	5.28
IP(EA), eV:	-9.0(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-2-fluoro-5-hydroxyphenyl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCCC2C(=O)OCC3=CC=CC=C3.Cl

DOS

IR

Vibrations